1-[2-[3-(azepan-1-yl)propylamino]phenyl]-3-(6-phenylpyridazin-3-yl)urea

Systemtic Name: 1-[2-[3-(azepan-1-yl)propylamino]phenyl]-3-(6-phenylpyridazin-3-yl)urea Openeye Name: 1-[2-[3-(azepan-1-yl)propylamino]phenyl]-3-(6-phenylpyridazin-3-yl)urea CAS Name: 1-[2-[3-(1-azepanyl)propylamino]phenyl]-3-(6-phenyl-3-pyridazinyl)urea IUPAC Name: 1-[2-[3-(azepan-1-yl)propylamino]phenyl]-3-(6-phenylpyridazin-3-yl)urea Traditional Name: 1-[2-[3-(azepan-1-yl)propylamino]phenyl]-3-(6-phenylpyridazin-3-yl)urea Formula: C26H32N6O MolecularWeight: 444.57188

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCNC2=CC=CC=C2NC(=O)NC3=NN=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)CCCNC2=CC=CC=C2NC(=O)NC3=NN=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H32N6O/c33-26(29-25-16-15-22(30-31-25)21-11-4-3-5-12-21)28-24-14-7-6-13-23(24)27-17-10-20-32-18-8-1-2-9-19-32/h3-7,11-16,27H,1-2,8-10,17-20H2,(H2,28,29,31,33)